Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.20300
Diff mu Y
(Debye)
-0.18800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00742
-0.01923
0.00000
2
0.01217
0.02662
0.00000
3
-0.00131
-0.00127
0.00000
4
-0.03173
0.03779
0.00000
5
-0.00935
-0.06373
0.00000
6
0.04785
0.01840
0.00000
7
0.02391
-0.00005
0.00000
8
0.01874
-0.00744
0.00000
9
-0.12177
0.05991
0.00000
10
0.03397
0.09085
0.00000
11
-0.01271
0.01274
0.00000
12
-0.07403
0.03477
0.00000
13
0.06913
-0.08965
0.00000
14
0.03475
-0.04469
0.00000
15
-0.01867
-0.00108
0.00000
16
0.03107
-0.09834
0.00000
17
-0.00542
0.00336
0.00000
18
0.01573
0.00588
0.00000
19
0.01284
0.00665
0.00000
20
-0.02861
0.02652
0.00000
21
0.01962
0.00514
0.00000
22
0.00348
-0.05515
0.00000
23
-0.11508
0.07427
0.00000
24
0.07864
0.03968
0.00000
25
-0.04202
0.12345
0.00000
26
0.05096
-0.14168
0.00000
27
-0.00575
0.00112
0.00000
28
0.10784
-0.08139
0.00000
29
0.03957
0.01419
0.00000
30
0.02222
-0.00096
0.00000
31
-0.01109
-0.01663
0.00000
32
-0.01914
0.06184
0.00000